Geometry & MOs

Info

ID:	19504
PubChem CID:	566114
Reduced:	OC9H16 (1)
Stoich.:	AB9C16 (1)
Weight, g/mol:	140.120115
ΔH_f, kcal/mol:	-73.91
Dipole, Da:	1.85
IP(EA), eV:	-9.47(2.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,4,4a,5,6,7,8,8a-octahydro-2H-chromene

Drug info:

PubChemData

Smile

C1CCC2C(C1)CCCO2

DOS

IR

Vibrations